1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(o-tolyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methylphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(o-tolyl)prop-2-en-1-one Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO3S/c1-18-8-4-5-9-19(18)12-15-22(24)20-10-13-21(14-11-20)27(25,26)23-16-6-2-3-7-17-23/h4-5,8-15H,2-3,6-7,16-17H2,1H3